#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo s VAL 2 N 0.00 4.77 0.05 2.03 -7.23 -1.26 -4.10 120.40 114.66 1qjo s VAL 2 Ca 0.00 0.91 0.01 0.00 -1.81 0.00 0.00 61.98 61.08 1qjo s VAL 2 Cb 0.00 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1qjo s VAL 2 CO 0.00 0.14 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.34 1qjo s LYS 3 N -2.21 0.54 0.46 4.82 -0.14 0.15 -4.99 119.74 118.37 1qjo s LYS 3 Ca 0.42 -0.93 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 1qjo s LYS 3 Cb -0.14 -0.05 0.02 0.00 -1.68 0.00 0.00 37.83 35.98 1qjo s LYS 3 CO 0.20 -0.03 0.58 -1.83 -0.76 0.00 0.00 175.35 173.51 1qjo s GLU 4 N -2.49 2.66 -0.33 1.68 4.04 -1.26 0.11 118.70 123.10 1qjo s GLU 4 Ca -0.04 -1.39 -0.01 0.00 0.04 0.00 0.00 54.97 53.57 1qjo s GLU 4 Cb -0.03 -2.66 0.11 0.00 0.02 0.00 0.00 34.13 31.57 1qjo s GLU 4 CO -0.03 -0.39 0.13 0.08 -1.84 0.00 0.00 175.26 173.21 1qjo s VAL 5 N -2.45 0.75 0.50 1.83 1.01 0.23 -4.40 120.40 117.87 1qjo s VAL 5 Ca 0.55 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1qjo s VAL 5 Cb -0.08 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1qjo s VAL 5 CO 0.33 -0.75 0.71 0.54 0.00 0.00 0.00 175.10 175.93 1qjo s ASN 6 N 1.45 5.47 -0.23 3.32 2.20 -1.26 -0.86 114.94 125.04 1qjo s ASN 6 Ca 0.12 -0.02 -0.12 0.00 -0.94 0.00 0.00 52.86 51.90 1qjo s ASN 6 Cb -0.19 -0.99 -0.05 0.00 -2.00 0.00 0.00 41.25 38.03 1qjo s ASN 6 CO -0.21 -0.97 0.21 -0.69 -2.94 0.00 0.00 177.10 172.51 1qjo s VAL 7 N -2.63 5.33 0.00 3.54 1.01 -1.01 -4.75 120.40 121.88 1qjo s VAL 7 Ca 0.55 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1qjo s VAL 7 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1qjo s VAL 7 CO 0.37 0.33 0.00 -0.81 0.00 0.00 0.00 175.10 174.99 1qjo n PRO 8 N 4.27 0.00 -4.27 2.72 -0.04 -1.26 -0.08 135.00 136.34 1qjo n PRO 8 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 1qjo n PRO 8 Cb 0.52 -0.25 -0.13 0.00 -0.04 0.00 0.00 33.50 33.60 1qjo n PRO 8 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1qjo s ASP 9 N -1.61 1.63 -0.24 3.54 -4.77 -1.26 -4.38 116.67 109.57 1qjo s ASP 9 Ca 0.00 -0.52 0.16 0.00 -3.30 0.00 0.00 52.55 48.89 1qjo s ASP 9 Cb 0.00 -0.08 0.40 0.00 -1.09 0.00 0.00 42.92 42.15 1qjo s ASP 9 CO 0.00 -0.01 1.30 2.30 0.70 0.00 0.00 175.17 179.46 1qjo n ILE 10 N 1.66 0.43 0.00 2.11 -0.00 -1.26 -4.93 119.36 117.37 1qjo n ILE 10 Ca -0.19 -1.53 0.00 0.00 -0.00 0.00 0.00 62.75 61.03 1qjo n ILE 10 Cb 0.54 1.04 0.00 0.00 -0.00 0.00 0.00 39.64 41.23 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qjo n GLY 11 N -0.87 1.32 0.00 3.28 0.00 -1.26 -4.67 105.19 103.00 1qjo n GLY 11 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1qjo n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjo n GLY 12 N 0.00 5.26 0.12 -0.02 0.00 -1.26 -5.15 105.19 104.14 1qjo n GLY 12 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1qjo n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qjo n ASP 13 N 0.00 0.00 -4.56 1.61 -0.08 -1.26 -4.53 116.55 107.73 1qjo n ASP 13 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 1qjo n ASP 13 Cb 0.00 -0.17 -0.03 0.00 2.34 0.00 0.00 41.12 43.26 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1qjo s GLU 14 N -0.46 3.01 0.01 -0.67 8.01 -1.26 -3.85 118.70 123.48 1qjo s GLU 14 Ca 0.00 0.54 0.04 0.00 0.01 0.00 0.00 54.97 55.56 1qjo s GLU 14 Cb 0.00 -4.25 -0.01 0.00 -4.31 0.00 0.00 34.13 25.56 1qjo s GLU 14 CO 0.00 -2.28 -0.14 0.14 0.01 0.00 0.00 175.26 172.99 1qjo s VAL 15 N 7.36 1.07 0.67 2.63 -7.23 -0.66 -4.79 120.40 119.45 1qjo s VAL 15 Ca 0.59 -0.71 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1qjo s VAL 15 Cb -0.12 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1qjo s VAL 15 CO 0.23 0.20 1.02 -1.61 -0.31 0.00 0.00 175.10 174.63 1qjo s GLU 16 N -0.59 2.78 -0.22 4.82 2.02 -0.23 -0.37 118.70 126.92 1qjo s GLU 16 Ca 0.04 0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 1qjo s GLU 16 Cb -0.06 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1qjo s GLU 16 CO 0.00 -0.96 -0.05 0.08 0.02 0.00 0.00 175.26 174.35 1qjo s VAL 17 N -3.23 3.27 -0.23 2.63 1.01 0.04 0.12 120.40 124.02 1qjo s VAL 17 Ca 0.57 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1qjo s VAL 17 Cb -0.11 -2.48 -0.17 0.00 0.00 0.00 0.00 36.38 33.62 1qjo s VAL 17 CO 0.49 0.43 -0.04 0.35 0.00 0.00 0.00 175.10 176.32 1qjo n THR 18 N 4.77 1.55 -3.68 3.92 -2.24 0.36 -1.41 114.28 117.56 1qjo n THR 18 Ca -0.18 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1qjo n THR 18 Cb 0.51 -1.89 -0.15 0.00 -2.10 0.00 0.00 70.33 66.69 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qjo s GLU 19 N -2.46 0.55 -1.47 -0.78 2.02 -1.05 -4.92 118.70 110.59 1qjo s GLU 19 Ca -0.33 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 53.80 1qjo s GLU 19 Cb 0.10 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 1qjo s GLU 19 CO 0.57 -0.90 2.56 1.55 0.02 0.00 0.00 175.26 179.06 1qjo n VAL 20 N 5.01 3.72 -0.30 2.63 3.14 -1.26 -0.46 118.33 130.81 1qjo n VAL 20 Ca -0.05 -2.63 0.26 0.00 -2.96 0.00 0.00 64.34 58.95 1qjo n VAL 20 Cb 0.44 -2.57 0.44 0.00 -1.06 0.00 0.00 33.84 31.08 1qjo n VAL 20 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1qjo n MET 21 N 4.83 -0.02 -5.00 1.45 0.00 -1.05 -4.60 117.12 112.73 1qjo n MET 21 Ca 0.64 0.81 -0.31 0.00 0.00 0.00 0.00 57.70 58.84 1qjo n MET 21 Cb 0.30 -1.59 -0.15 0.00 0.00 0.00 0.00 33.22 31.78 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1qjo s VAL 22 N -4.67 2.29 0.39 2.03 -7.23 -1.07 -5.04 120.40 107.10 1qjo s VAL 22 Ca -0.05 -1.21 0.06 0.00 -1.81 0.00 0.00 61.98 58.97 1qjo s VAL 22 Cb 0.20 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 1qjo s VAL 22 CO 0.53 0.45 0.22 -0.54 -0.31 0.00 0.00 175.10 175.44 1qjo s LYS 23 N -1.02 1.91 -0.94 4.82 1.02 -1.26 -5.02 119.74 119.24 1qjo s LYS 23 Ca 0.12 -2.15 -0.15 0.00 0.02 0.00 0.00 55.97 53.80 1qjo s LYS 23 Cb -0.10 -0.14 -0.28 0.00 -0.52 0.00 0.00 37.83 36.79 1qjo s LYS 23 CO 0.01 -0.61 2.26 0.28 -0.92 0.00 0.00 175.35 176.38 1qjo n VAL 24 N -0.82 -0.00 0.00 3.17 0.31 -1.26 -0.21 118.33 119.52 1qjo n VAL 24 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1qjo n VAL 24 Cb 0.63 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1qjo n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjo n GLY 25 N 5.89 1.13 3.60 2.92 0.00 0.19 -4.98 105.19 113.94 1qjo n GLY 25 Ca 0.62 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.26 1qjo n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 26 N -0.53 6.16 -0.70 1.61 1.01 0.71 -4.81 116.67 120.13 1qjo s ASP 26 Ca 0.00 0.17 -0.26 0.00 0.71 0.00 0.00 52.55 53.18 1qjo s ASP 26 Cb 0.00 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.69 1qjo s ASP 26 CO 0.00 -0.12 2.13 -0.54 0.21 0.00 0.00 175.17 176.85 1qjo s LYS 27 N 1.88 2.26 0.36 8.23 3.01 -1.26 -1.83 119.74 132.39 1qjo s LYS 27 Ca 0.12 0.53 -0.04 0.00 -1.01 0.00 0.00 55.97 55.57 1qjo s LYS 27 Cb -0.16 -4.70 -0.04 0.00 -1.01 0.00 0.00 37.83 31.92 1qjo s LYS 27 CO 0.10 -3.40 0.63 0.08 0.51 0.00 0.00 175.35 173.27 1qjo s VAL 28 N 11.30 5.00 -0.07 3.17 1.01 0.28 -4.92 120.40 136.17 1qjo s VAL 28 Ca 0.80 -0.02 -0.32 0.00 0.00 0.00 0.00 61.98 62.45 1qjo s VAL 28 Cb -0.12 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 28 CO 0.13 -0.54 1.30 0.00 0.00 0.00 0.00 175.10 175.99 1qjo s ALA 29 N -2.34 -2.24 1.00 5.51 0.00 -1.26 -0.10 121.76 122.33 1qjo s ALA 29 Ca 0.44 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1qjo s ALA 29 Cb -0.10 0.22 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 1qjo s ALA 29 CO 0.36 -0.95 -0.73 0.00 0.00 0.00 0.00 175.76 174.44 1qjo n ALA 30 N -0.40 -5.09 0.00 0.00 0.00 -1.26 -2.28 120.51 111.48 1qjo n ALA 30 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1qjo n ALA 30 Cb 0.62 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1qjo n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qjo n GLU 31 N 1.69 0.00 -2.95 0.00 4.71 -1.26 -4.84 120.64 117.99 1qjo n GLU 31 Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.70 1qjo n GLU 31 Cb 0.59 -3.55 -0.02 0.00 -1.01 0.00 0.00 31.44 27.45 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1qjo s GLN 32 N 0.00 3.72 0.00 3.49 0.74 -0.97 -4.91 119.66 121.73 1qjo s GLN 32 Ca 0.00 -2.00 0.00 0.00 0.05 0.00 0.00 55.36 53.41 1qjo s GLN 32 Cb 0.00 -4.92 0.00 0.00 1.10 0.00 0.00 33.01 29.19 1qjo s GLN 32 CO 0.00 -1.74 0.65 0.43 -0.55 0.00 0.00 175.29 174.08 1qjo n SER 33 N 6.18 -1.30 -0.04 6.67 7.64 -1.26 -2.88 113.62 128.63 1qjo n SER 33 Ca 0.26 -0.86 -0.01 0.00 1.01 0.00 0.00 58.87 59.28 1qjo n SER 33 Cb 0.47 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 34 N 3.30 -0.09 -3.80 -3.43 7.99 0.14 -4.54 117.00 116.57 1qjo n LEU 34 Ca 0.00 0.30 -0.12 0.00 -0.01 0.00 0.00 56.01 56.17 1qjo n LEU 34 Cb 0.33 -0.09 -0.10 0.00 -0.11 0.00 0.00 43.42 43.44 1qjo n LEU 34 CO 0.33 -0.20 -0.07 0.27 -1.51 0.00 0.00 177.39 176.21 1qjo s ILE 35 N -3.76 0.04 -0.12 -0.08 -4.36 -1.01 -2.53 121.20 109.39 1qjo s ILE 35 Ca -0.01 -0.34 -0.17 0.00 -0.26 0.00 0.00 60.65 59.87 1qjo s ILE 35 Cb 0.01 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.20 1qjo s ILE 35 CO 0.05 -0.19 0.42 -0.89 0.24 0.00 0.00 174.94 174.57 1qjo s THR 36 N -0.76 5.20 0.23 8.37 2.01 0.39 -1.39 115.64 129.70 1qjo s THR 36 Ca -0.09 0.83 0.09 0.00 0.31 0.00 0.00 61.69 62.83 1qjo s THR 36 Cb -0.05 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1qjo s THR 36 CO 0.02 0.37 -0.15 0.68 -0.69 0.00 0.00 174.62 174.85 1qjo s VAL 37 N 0.41 1.91 0.00 3.82 -7.23 0.14 -0.49 120.40 118.97 1qjo s VAL 37 Ca 0.23 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1qjo s VAL 37 Cb -0.15 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1qjo s VAL 37 CO 0.09 -0.51 0.00 1.21 -0.31 0.00 0.00 175.10 175.57 1qjo n GLU 38 N -0.46 2.30 0.00 4.82 2.13 0.12 0.07 120.64 129.62 1qjo n GLU 38 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1qjo n GLU 38 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qjo n GLY 39 N 2.88 2.44 5.30 8.31 0.00 -1.26 -1.06 105.19 121.79 1qjo n GLY 39 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1qjo n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qjo n ASP 40 N 0.00 0.00 0.00 1.61 2.03 -1.26 -2.00 116.55 116.93 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qjo n LYS 41 N 0.00 0.00 -3.69 -0.67 -0.00 -1.26 -5.14 118.16 107.40 1qjo n LYS 41 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1qjo n LYS 41 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qjo s ALA 42 N 0.00 1.07 -0.38 0.58 0.00 -0.85 -5.10 121.76 117.08 1qjo s ALA 42 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 1qjo s ALA 42 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1qjo s ALA 42 CO 0.00 -1.44 1.67 0.45 0.00 0.00 0.00 175.76 176.44 1qjo s SER 43 N 1.84 5.99 0.28 0.00 0.15 -1.26 -4.39 113.70 116.31 1qjo s SER 43 Ca 0.05 1.06 0.08 0.00 0.70 0.00 0.00 55.95 57.84 1qjo s SER 43 Cb -0.17 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1qjo s SER 43 CO -0.20 -1.67 0.11 -0.04 1.20 0.00 0.00 173.24 172.65 1qjo s MET 44 N 5.53 2.56 0.24 5.44 -1.94 0.11 -4.96 119.30 126.28 1qjo s MET 44 Ca 0.72 -1.30 0.10 0.00 -1.71 0.00 0.00 55.69 53.50 1qjo s MET 44 Cb -0.19 -2.33 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 1qjo s MET 44 CO 0.32 0.31 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.24 1qjo s GLU 45 N -3.79 1.53 -0.10 2.03 2.02 -1.26 0.23 118.70 119.36 1qjo s GLU 45 Ca 0.34 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.68 1qjo s GLU 45 Cb -0.06 -1.58 0.02 0.00 0.10 0.00 0.00 34.13 32.62 1qjo s GLU 45 CO 0.23 0.30 -0.07 0.08 0.02 0.00 0.00 175.26 175.81 1qjo s VAL 46 N -2.44 0.97 0.59 2.63 1.01 -0.48 -4.90 120.40 117.78 1qjo s VAL 46 Ca 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1qjo s VAL 46 Cb -0.05 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.40 1qjo s VAL 46 CO 0.11 0.35 0.83 -2.16 0.00 0.00 0.00 175.10 174.24 1qjo s PRO 47 N 1.58 2.38 -0.89 2.72 0.04 -1.26 0.25 135.00 139.82 1qjo s PRO 47 Ca 0.02 -0.80 -0.24 0.00 0.04 0.00 0.00 61.00 60.02 1qjo s PRO 47 Cb -0.13 -2.44 -0.22 0.00 0.04 0.00 0.00 34.50 31.76 1qjo s PRO 47 CO -0.06 -0.87 2.49 0.00 0.04 0.00 0.00 177.00 178.60 1qjo n ALA 48 N -2.46 0.59 -0.36 8.56 0.00 -1.14 -4.50 120.51 121.19 1qjo n ALA 48 Ca 0.09 -0.63 0.37 0.00 0.00 0.00 0.00 53.44 53.28 1qjo n ALA 48 Cb 0.60 -2.56 0.70 0.00 0.00 0.00 0.00 19.45 18.20 1qjo n ALA 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qjo h PRO 49 N 13.18 0.00 0.00 0.00 0.13 -1.93 -3.40 132.00 139.98 1qjo h PRO 49 Ca -0.06 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1qjo h PRO 49 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1qjo h PRO 49 CO 1.37 0.00 0.39 1.97 -0.23 0.00 0.00 178.00 181.51 1qjo n PHE 50 N -3.84 -1.86 -4.13 1.56 -1.74 -1.26 -5.06 117.46 101.14 1qjo n PHE 50 Ca 0.28 -1.51 -0.25 0.00 -0.56 0.00 0.00 57.45 55.41 1qjo n PHE 50 Cb 1.47 0.75 -0.06 0.00 1.52 0.00 0.00 39.48 43.16 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1qjo s ALA 51 N -2.00 3.48 0.00 1.98 0.00 -1.26 -4.35 121.76 119.61 1qjo s ALA 51 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1qjo s ALA 51 Cb -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1qjo s ALA 51 CO 0.09 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.67 1qjo n GLY 52 N -0.56 0.94 3.98 0.00 0.00 0.86 -4.51 105.19 105.90 1qjo n GLY 52 Ca -0.08 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 1qjo n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjo s VAL 53 N -1.47 3.30 -0.16 1.61 1.01 -0.23 0.99 120.40 125.45 1qjo s VAL 53 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1qjo s VAL 53 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1qjo s VAL 53 CO 0.00 -0.11 0.49 -0.69 0.00 0.00 0.00 175.10 174.79 1qjo s VAL 54 N -2.53 5.15 -0.17 2.92 1.01 -0.76 -0.54 120.40 125.48 1qjo s VAL 54 Ca 0.53 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 1qjo s VAL 54 Cb -0.10 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1qjo s VAL 54 CO 0.36 0.25 -0.33 1.17 0.00 0.00 0.00 175.10 176.55 1qjo n LYS 55 N 4.28 0.50 -3.93 2.72 4.81 -0.31 -0.64 118.16 125.58 1qjo n LYS 55 Ca -0.06 0.21 -0.08 0.00 -0.87 0.00 0.00 58.31 57.51 1qjo n LYS 55 Cb 0.51 -1.40 -0.08 0.00 0.02 0.00 0.00 35.03 34.08 1qjo n LYS 55 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1qjo s GLU 56 N -2.80 0.76 0.15 1.64 2.12 -1.13 -4.77 118.70 114.66 1qjo s GLU 56 Ca -0.27 -1.03 -0.17 0.00 0.36 0.00 0.00 54.97 53.86 1qjo s GLU 56 Cb 0.04 0.29 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1qjo s GLU 56 CO 0.40 -0.21 0.45 -0.48 -0.54 0.00 0.00 175.26 174.88 1qjo s LEU 57 N -2.84 0.22 -0.32 2.70 2.34 -1.26 -0.87 118.68 118.65 1qjo s LEU 57 Ca 0.05 -0.34 0.15 0.00 0.06 0.00 0.00 54.13 54.05 1qjo s LEU 57 Cb 0.06 1.98 0.47 0.00 -0.56 0.00 0.00 46.19 48.13 1qjo s LEU 57 CO -0.10 -0.92 1.06 0.29 -1.06 0.00 0.00 176.35 175.62 1qjo n LYS 58 N -0.27 2.12 -4.05 1.48 4.01 -1.17 -5.02 118.16 115.26 1qjo n LYS 58 Ca -0.14 -3.71 -0.12 0.00 -0.51 0.00 0.00 58.31 53.83 1qjo n LYS 58 Cb 0.64 -1.70 -0.12 0.00 -0.51 0.00 0.00 35.03 33.34 1qjo n LYS 58 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1qjo s VAL 59 N -4.01 0.43 0.41 -0.18 -7.23 -1.26 -5.07 120.40 103.49 1qjo s VAL 59 Ca 0.35 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1qjo s VAL 59 Cb 0.40 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.81 1qjo s VAL 59 CO -0.03 -0.37 0.13 0.21 -0.31 0.00 0.00 175.10 174.73 1qjo s ASN 60 N -1.44 2.78 -0.45 4.85 3.84 -1.26 -5.06 114.94 118.20 1qjo s ASN 60 Ca -0.10 -1.66 -0.22 0.00 0.21 0.00 0.00 52.86 51.08 1qjo s ASN 60 Cb -0.09 0.49 0.03 0.00 -0.55 0.00 0.00 41.25 41.12 1qjo s ASN 60 CO 0.00 -0.92 0.75 -0.69 -2.79 0.00 0.00 177.10 173.45 1qjo s VAL 61 N -3.21 4.69 0.00 -5.21 1.01 -1.26 -2.67 120.40 113.75 1qjo s VAL 61 Ca 0.24 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1qjo s VAL 61 Cb 0.03 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1qjo s VAL 61 CO 0.15 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.15 1qjo n GLY 62 N 5.01 1.26 3.90 4.51 0.00 -0.50 -4.97 105.19 114.41 1qjo n GLY 62 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1qjo n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 63 N -0.27 4.57 0.30 1.61 1.01 -1.09 -4.62 116.67 118.18 1qjo s ASP 63 Ca 0.00 0.74 0.08 0.00 0.71 0.00 0.00 52.55 54.08 1qjo s ASP 63 Cb 0.00 -1.26 -0.06 0.00 1.01 0.00 0.00 42.92 42.61 1qjo s ASP 63 CO 0.00 -1.85 -0.08 -1.59 0.21 0.00 0.00 175.17 171.86 1qjo s LYS 64 N -5.53 1.65 0.18 8.23 0.00 -1.26 -0.78 119.74 122.24 1qjo s LYS 64 Ca 0.62 -1.83 -0.01 0.00 0.00 0.00 0.00 55.97 54.75 1qjo s LYS 64 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 37.83 36.29 1qjo s LYS 64 CO 0.48 0.10 0.10 0.14 0.00 0.00 0.00 175.35 176.17 1qjo s VAL 65 N -2.83 0.09 0.06 1.79 -7.23 0.50 -4.92 120.40 107.84 1qjo s VAL 65 Ca 0.30 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1qjo s VAL 65 Cb 0.03 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.65 1qjo s VAL 65 CO 0.14 -0.18 0.30 -1.59 -0.31 0.00 0.00 175.10 173.46 1qjo s LYS 66 N -4.11 0.85 -0.71 4.82 -2.85 -1.25 -1.65 119.74 114.85 1qjo s LYS 66 Ca 0.33 -0.59 -0.21 0.00 -1.00 0.00 0.00 55.97 54.50 1qjo s LYS 66 Cb 0.07 0.36 -0.16 0.00 -2.06 0.00 0.00 37.83 36.05 1qjo s LYS 66 CO 0.08 -0.28 1.89 0.25 0.10 0.00 0.00 175.35 177.39 1qjo n THR 67 N 0.39 0.00 0.00 3.79 -2.24 -1.25 -0.41 114.28 114.56 1qjo n THR 67 Ca -0.18 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1qjo n THR 67 Cb 0.60 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjo n GLY 68 N 4.56 0.45 3.74 3.38 0.00 0.89 -4.93 105.19 113.27 1qjo n GLY 68 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1qjo n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjo s SER 69 N -2.15 6.56 -0.80 1.61 0.01 0.45 -4.50 113.70 114.88 1qjo s SER 69 Ca 0.00 2.73 -0.05 0.00 1.31 0.00 0.00 55.95 59.94 1qjo s SER 69 Cb 0.00 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1qjo s SER 69 CO 0.00 -0.80 2.07 0.18 0.41 0.00 0.00 173.24 175.10 1qjo n LEU 70 N 2.79 4.55 -0.13 2.44 7.99 -1.26 -2.41 117.00 130.98 1qjo n LEU 70 Ca 0.09 -2.73 -0.03 0.00 -0.01 0.00 0.00 56.01 53.32 1qjo n LEU 70 Cb 0.39 -1.04 -0.03 0.00 -0.11 0.00 0.00 43.42 42.62 1qjo n LEU 70 CO 0.62 0.55 0.26 -0.38 -1.51 0.00 0.00 177.39 176.92 1qjo n ILE 71 N 4.11 -0.21 -3.99 -0.08 2.08 -0.03 -4.81 119.36 116.42 1qjo n ILE 71 Ca 0.41 1.09 -0.12 0.00 0.56 0.00 0.00 62.75 64.69 1qjo n ILE 71 Cb 0.15 -1.38 -0.02 0.00 -0.75 0.00 0.00 39.64 37.64 1qjo n ILE 71 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qjo s MET 72 N -4.34 1.96 -0.12 0.38 0.23 -1.17 -3.05 119.30 113.18 1qjo s MET 72 Ca -0.04 -1.58 0.02 0.00 -1.03 0.00 0.00 55.69 53.06 1qjo s MET 72 Cb 0.03 0.50 -0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1qjo s MET 72 CO 0.20 -0.85 -0.20 0.42 -2.03 0.00 0.00 175.02 172.56 1qjo s ILE 73 N -2.98 2.32 0.26 3.16 1.09 -0.05 0.75 121.20 125.75 1qjo s ILE 73 Ca 0.25 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 58.96 1qjo s ILE 73 Cb -0.02 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.42 1qjo s ILE 73 CO 0.16 0.54 0.22 -0.36 -0.10 0.00 0.00 174.94 175.40 1qjo s PHE 74 N 0.55 3.10 -0.18 3.97 0.40 0.29 -1.17 117.98 124.95 1qjo s PHE 74 Ca -0.12 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 1qjo s PHE 74 Cb -0.17 -1.47 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1qjo s PHE 74 CO 0.04 0.46 0.12 -2.00 0.70 0.00 0.00 175.22 174.54 1qjo s GLU 75 N -3.88 0.09 0.00 0.44 2.12 0.30 0.34 118.70 118.12 1qjo s GLU 75 Ca 0.34 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.63 1qjo s GLU 75 Cb -0.08 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1qjo s GLU 75 CO 0.25 -0.68 0.15 1.33 -0.54 0.00 0.00 175.26 175.77 1qjo n VAL 76 N 5.29 0.00 0.00 3.70 0.24 -1.26 -1.06 118.33 125.24 1qjo n VAL 76 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1qjo n VAL 76 Cb 0.49 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1qjo n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qjo n GLU 77 N 2.05 0.00 -2.83 7.34 -0.58 -1.26 -0.27 120.64 125.09 1qjo n GLU 77 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1qjo n GLU 77 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qjo n GLY 78 N 0.00 1.77 3.19 0.62 0.00 -1.26 -5.02 105.19 104.49 1qjo n GLY 78 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1qjo n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjo n ALA 79 N -0.60 -0.89 -1.82 4.61 0.00 0.63 -5.26 120.51 117.18 1qjo n ALA 79 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1qjo n ALA 79 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50